{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12158","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-density&page=12156","results":[{"id":"mp-1207051","created_at":"2022-09-04T14:45:22.131741Z","structure_string":"K1 Sm3 O6\n1.0\n5.770127 -7.413154 0.000000\n5.770127 7.413154 0.000000\n0.000000 0.000000 30.176177\nK Sm O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.500000 0.000000 Sm\n0.000000 0.000000 0.230596 O\n0.000000 0.000000 0.769404 O\n0.296758 0.035809 0.000000 O\n0.703242 0.964191 0.000000 O\n0.035809 0.296758 0.000000 O\n0.964191 0.703242 0.000000 O\n","nsites":10,"nelements":3,"elements":["K","Sm","O"],"chemical_system":"K-O-Sm","density":0.37704532381060024,"density_atomic":0.0038736233646247307,"volume":2581.5622890246536,"volume_molar":155.46531485214268,"formula_full":"K1 Sm3 O6","formula_reduced":"KSm3O6","formula_anonymous":"AB3C6","energy":-45.84057927,"energy_per_atom":-4.584057927,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.71857926999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.4864682,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.713000Z","spacegroup":65},{"id":"mp-1093798","created_at":"2022-09-04T14:40:23.624710Z","structure_string":"Mg1 Zr1 Zn2\n1.0\n-5.671327 5.863030 8.168669\n5.671327 -5.863030 8.168669\n5.671327 5.863030 -8.168669\nMg Zr Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.251637 0.251637 Zn\n0.000000 0.748363 0.748363 Zn\n","nsites":4,"nelements":3,"elements":["Mg","Zr","Zn"],"chemical_system":"Mg-Zn-Zr","density":0.3765115300544824,"density_atomic":0.0036816448871463915,"volume":1086.4708907600163,"volume_molar":163.57201589498504,"formula_full":"Mg1 Zr1 Zn2","formula_reduced":"MgZrZn2","formula_anonymous":"ABC2","energy":-4.94451163,"energy_per_atom":-1.2361279075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.94451163,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8112164,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.400000Z","spacegroup":71},{"id":"mp-1097405","created_at":"2022-09-04T14:44:19.318170Z","structure_string":"Sc2 Cd1 Ga1\n1.0\n-5.724604 6.154295 8.539208\n5.724604 -6.154295 8.539208\n5.724604 6.154295 -8.539208\nSc Cd Ga\n2 1 1\ndirect\n0.000000 0.230902 0.230902 Sc\n0.000000 0.769098 0.769098 Sc\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Sc","Cd","Ga"],"chemical_system":"Cd-Ga-Sc","density":0.3753961531925013,"density_atomic":0.003323981883388899,"volume":1203.3759931091683,"volume_molar":181.17249044270505,"formula_full":"Sc2 Cd1 Ga1","formula_reduced":"Sc2CdGa","formula_anonymous":"ABC2","energy":-8.69436242,"energy_per_atom":-2.173590605,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.69436242,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0065445,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.218000Z","spacegroup":71},{"id":"mp-1213671","created_at":"2022-09-04T14:42:06.977542Z","structure_string":"Cu1 Sn3 F6\n1.0\n-11.035860 0.000000 0.000000\n5.361303 10.189257 0.000000\n-0.410449 -3.116185 -21.044162\nCu Sn F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.398648 0.005321 0.082311 F\n0.601352 0.994679 0.917689 F\n0.922024 0.926812 0.407227 F\n0.077976 0.073188 0.592773 F\n0.708716 0.618645 0.995571 F\n0.291284 0.381355 0.004429 F\n","nsites":10,"nelements":3,"elements":["Cu","Sn","F"],"chemical_system":"Cu-F-Sn","density":0.374488631379788,"density_atomic":0.004225904368029971,"volume":2366.357382730313,"volume_molar":142.50537247267138,"formula_full":"Cu1 Sn3 F6","formula_reduced":"CuSn3F6","formula_anonymous":"AB3C6","energy":-39.45231492,"energy_per_atom":-3.945231492,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.68031492,"band_gap":0.2326999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.9929017,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.898000Z","spacegroup":2},{"id":"mp-1211623","created_at":"2022-09-04T14:39:15.669734Z","structure_string":"Sr2 Mn1 Sn2\n1.0\n8.688456 0.000000 0.000000\n0.000000 8.688456 0.000000\n0.000000 0.000000 27.486471\nSr Mn Sn\n2 1 2\ndirect\n0.500000 0.500000 0.670838 Sr\n0.500000 0.500000 0.329162 Sr\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.215147 Sn\n0.500000 0.500000 0.784853 Sn\n","nsites":5,"nelements":3,"elements":["Sr","Mn","Sn"],"chemical_system":"Mn-Sn-Sr","density":0.37421189465573396,"density_atomic":0.002409715704074322,"volume":2074.933566456015,"volume_molar":249.91084009693873,"formula_full":"Sr2 Mn1 Sn2","formula_reduced":"Sr2MnSn2","formula_anonymous":"AB2C2","energy":-10.02784783,"energy_per_atom":-2.005569566,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.02784783,"band_gap":0.5518000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.9912003,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.879000Z","spacegroup":123},{"id":"mp-1206232","created_at":"2022-09-04T14:48:10.079041Z","structure_string":"Nd2 Cd1 Sb3\n1.0\n9.108975 0.000000 0.000000\n0.000000 9.108975 0.000000\n0.000000 0.000000 41.011323\nNd Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242870 Nd\n0.500000 0.500000 0.757130 Nd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.690898 Sb\n0.500000 0.500000 0.309102 Sb\n0.500000 0.500000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Nd","Cd","Sb"],"chemical_system":"Cd-Nd-Sb","density":0.37388175674075,"density_atomic":0.001763227905478751,"volume":3402.8499556731335,"volume_molar":341.54069030372284,"formula_full":"Nd2 Cd1 Sb3","formula_reduced":"Nd2CdSb3","formula_anonymous":"AB2C3","energy":-11.8522232,"energy_per_atom":-1.9753705333333331,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.2762232,"band_gap":0.1359000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.1427472,"is_theoretical":true,"updated_at":"2021-11-28T01:38:33.257000Z","spacegroup":123},{"id":"mp-1206966","created_at":"2022-09-04T14:46:36.005758Z","structure_string":"Tm2 Te3\n1.0\n9.473164 0.000000 0.000000\n0.000000 9.473164 0.000000\n0.000000 0.000000 35.693107\nTm Te\n2 3\ndirect\n0.500000 0.500000 0.284368 Tm\n0.500000 0.500000 0.715632 Tm\n0.500000 0.500000 0.642263 Te\n0.500000 0.500000 0.357737 Te\n0.500000 0.500000 0.000000 Te\n","nsites":5,"nelements":2,"elements":["Tm","Te"],"chemical_system":"Te-Tm","density":0.3736028007161054,"density_atomic":0.0015609735299766077,"volume":3203.1292677172614,"volume_molar":385.79390645338145,"formula_full":"Tm2 Te3","formula_reduced":"Tm2Te3","formula_anonymous":"A2B3","energy":-12.20265057,"energy_per_atom":-2.440530114,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.93665057,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999219,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.098000Z","spacegroup":123},{"id":"mp-1093836","created_at":"2022-09-04T14:39:08.552209Z","structure_string":"Sc2 In1 Tc1\n1.0\n-5.140923 6.899033 9.484310\n5.140923 -6.899033 9.484310\n5.140923 6.899033 -9.484310\nSc In Tc\n2 1 1\ndirect\n0.000000 0.213831 0.213831 Sc\n0.000000 0.786169 0.786169 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Tc\n","nsites":4,"nelements":3,"elements":["Sc","In","Tc"],"chemical_system":"In-Sc-Tc","density":0.3736020515776211,"density_atomic":0.0029727948358371542,"volume":1345.535168380895,"volume_molar":202.57505453800127,"formula_full":"Sc2 In1 Tc1","formula_reduced":"Sc2InTc","formula_anonymous":"ABC2","energy":-16.23917371,"energy_per_atom":-4.0597934275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.23917371,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3924479,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.170000Z","spacegroup":71},{"id":"mp-1097338","created_at":"2022-09-04T14:39:16.740144Z","structure_string":"Ca2 Zn1 Pb1\n1.0\n-6.245206 6.669501 9.428726\n6.245206 -6.669501 9.428726\n6.245206 6.669501 -9.428726\nCa Zn Pb\n2 1 1\ndirect\n0.000000 0.257838 0.257838 Ca\n0.000000 0.742162 0.742162 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Ca","Zn","Pb"],"chemical_system":"Ca-Pb-Zn","density":0.37289062965291175,"density_atomic":0.002546284195575974,"volume":1570.9165563489637,"volume_molar":236.5070156136983,"formula_full":"Ca2 Zn1 Pb1","formula_reduced":"Ca2ZnPb","formula_anonymous":"ABC2","energy":-4.16892501,"energy_per_atom":-1.0422312525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.16892501,"band_gap":0.0054000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998866,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.191000Z","spacegroup":71},{"id":"mp-1096106","created_at":"2022-09-04T14:47:29.210842Z","structure_string":"Sr2 Cd1 Ga1\n1.0\n-6.538480 6.622402 9.199620\n6.538480 -6.622402 9.199620\n6.538480 6.622402 -9.199620\nSr Cd Ga\n2 1 1\ndirect\n0.770713 0.000000 0.770713 Sr\n0.229287 0.000000 0.229287 Sr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Sr","Cd","Ga"],"chemical_system":"Cd-Ga-Sr","density":0.37243443669715726,"density_atomic":0.002510370203133605,"volume":1593.3904867923238,"volume_molar":239.8905449277074,"formula_full":"Sr2 Cd1 Ga1","formula_reduced":"Sr2CdGa","formula_anonymous":"ABC2","energy":-2.85206477,"energy_per_atom":-0.7130161925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.85206477,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.8558573,"is_theoretical":true,"updated_at":"2021-11-28T01:38:14.800000Z","spacegroup":71},{"id":"mp-1097271","created_at":"2022-09-04T14:40:06.088449Z","structure_string":"Li1 Y2 Ag1\n1.0\n-6.123758 6.134935 8.684483\n6.123758 -6.134935 8.684483\n6.123758 6.134935 -8.684483\nLi Y Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.274459 0.274459 Y\n0.000000 0.725541 0.725541 Y\n0.000000 0.500000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Li","Y","Ag"],"chemical_system":"Ag-Li-Y","density":0.3723252527144252,"density_atomic":0.0030649828240206975,"volume":1305.064409709393,"volume_molar":196.4820394034069,"formula_full":"Li1 Y2 Ag1","formula_reduced":"LiY2Ag","formula_anonymous":"ABC2","energy":-9.0780384,"energy_per_atom":-2.2695096,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.0780384,"band_gap":0.2633000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9988255,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.693000Z","spacegroup":71},{"id":"mp-1209649","created_at":"2022-09-04T14:47:17.139890Z","structure_string":"Sm2 Sb3 Au1\n1.0\n9.738592 0.000000 0.000000\n0.000000 9.738592 0.000000\n0.000000 0.000000 40.639337\nSm Sb Au\n2 3 1\ndirect\n0.500000 0.500000 0.248023 Sm\n0.500000 0.500000 0.751977 Sm\n0.500000 0.500000 0.685791 Sb\n0.500000 0.500000 0.314209 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n","nsites":6,"nelements":3,"elements":["Sm","Sb","Au"],"chemical_system":"Au-Sb-Sm","density":0.37179548561155823,"density_atomic":0.0015567264106096169,"volume":3854.2417981142808,"volume_molar":386.84644385532835,"formula_full":"Sm2 Sb3 Au1","formula_reduced":"Sm2Sb3Au","formula_anonymous":"AB2C3","energy":-11.58577626,"energy_per_atom":-1.93096271,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.00977626,"band_gap":0.1313999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8194727,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.591000Z","spacegroup":123}]}